SCHEMBL4463019

SCHEMBL4463019

Cc1ncc([N+](=O)[O-])n1CCOC(=O)CCCC(=O)NC(N)=O

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GLA P06280 2/20 0.65
ALDH1A1 P00352 4/20 0.53
MAPT P10636 2/20 0.53
EGFR P00533 10/20 0.52
ERBB2 P04626 10/20 0.52
CA12 O43570 2/20 0.52
CA1 P00915 2/20 0.52
CA2 P00918 2/20 0.52
CA9 Q16790 2/20 0.52
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 1/20 0.50
POLB P06746 1/20 0.50
PKM P14618 1/20 0.50
HPGD P15428 1/20 0.50
CTDSP1 Q9GZU7 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
GUSB P08236 1/20 0.49
LMNA P02545 1/20 0.49
THRB P10828 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4475274 0.94 GLA (0.68) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL4483444 0.92 GLA (0.63) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL4470781 0.92 GLA (0.63) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL4977107 0.92 GLA (0.61) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL13672247 0.91 GLA (0.60) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL4978289 0.90 GLA (0.59) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL13672249 0.90 GLA (0.59) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL4472549 0.90 GLA (0.59) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL4974615 0.90 GLA (0.59) GLAALDH1A1MAPTEGFRERBB2
SCHEMBL13672256 0.89 GLA (0.58) GLAALDH1A1MAPTEGFRERBB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7608724-B2 2-(2-Methyl-5-nitro-1H-imidazol-1-yl)ethyl 4-[(aminocarbonothioyl)amino]-4-oxobutanoate;potententiation; anaerobic/ aerobic microoraganisms; grampositive,gramnegative bacteria; Campylobacter; respiratory system disorders; paraciticides; nontoxic; enzymers/hydrolases/;enzyme inhibitors EMS S.A. (BR) 2009-10-27 US claimed
EP-1685114-B1 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS SA (BR) 2008-10-15 EP claimed
US-20070072929-A1 Antibacterial and/or antiprotozoal nitromidazole derivative compounds with urease inhibitor activity, process for preparing these compounds and use in pharmaceutical compositions and medicines EMS S.A. (BR) 2007-03-29 US claimed
EP-1685114-B1 ANTIBACTERIAL AND/OR ANTIPROTOZOAL NITROIMIDAZOLE DERIVATIVE COMPOUNDS WITH UREASE INHIBITOR ACTIVITY, PROCESS FOR PREPARING THESE COMPOUNDS AND USE IN PHARMACEUTICAL COMPOSITIONS AND MEDICINES. EMS SA (BR) 2008-10-15 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070072929-A1 Antibacterial and/or antiprotozoal nitromidazole derivative compounds with urease inhibitor activity, process for preparing these compounds and use in pharmaceutical compositions and medicines UMPS, PNP, UROD GLA 1180/4885ALDH1A1 2614/4885MAPT 1884/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.